(1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C20H30N6OS — CID 53158710

IUPAC(1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)n1
InChIInChI=1S/C20H30N6OS/c1-3-26-9-6-18(22-26)19(27)24-10-12-25(13-11-24)20-21-17(15-28-20)14-23-7-4-16(2)5-8-23/h6,9,15-16H,3-5,7-8,10-14H2,1-2H3
InChIKeyRHVJKIAEMDRWKF-UHFFFAOYSA-N
MW402.57 g/mol
LogP2.55
Rot. Bonds5

About (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158710) has the molecular formula C20H30N6OS and a molecular weight of 402.57 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158710
Molecular FormulaC20H30N6OS
Molecular Weight402.57 g/mol
Exact Mass402.22
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)n1
InChIInChI=1S/C20H30N6OS/c1-3-26-9-6-18(22-26)19(27)24-10-12-25(13-11-24)20-21-17(15-28-20)14-23-7-4-16(2)5-8-23/h6,9,15-16H,3-5,7-8,10-14H2,1-2H3
InChIKeyRHVJKIAEMDRWKF-UHFFFAOYSA-N
XLogP2.55
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(tert-butyl)thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 42110937
N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 53149583
(1,5-dimethyl-1H-pyrazol-3-yl){4-[4-(morpholinomethyl)-1,3-thiazol-2-yl]piperazino}methanone
CID 53158748
N-[2-(2-{1-[(1-Ethyl-1H-pyrazol-3-YL)carbonyl]-3-piperidyl}-1,3-thiazol-4-YL)ethyl]-1-cyclopropanecarboxamide
CID 71841696
[2-(4-methylpiperazino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl](1-methyl-1H-pyrazol-5-yl)methanone
CID 91903891
(1,5-Dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37281524
N-(4-(tert-butyl)thiazol-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 42138549
(2-Methylpyrazol-3-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 72150220
N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 126800821
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 132415420
N-(4-methyl(1,3-thiazol-2-yl))(1-methylpyrazol-5-yl)carboxamide
CID 3553941
[2-(2,2-Difluoroethyl)pyrazol-3-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 136538094

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158710) is (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is CCn1ccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is RHVJKIAEMDRWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6OS/c1-3-26-9-6-18(22-26)19(27)24-10-12-25(13-11-24)20-21-17(15-28-20)14-23-7-4-16(2)5-8-23/h6,9,15-16H,3-5,7-8,10-14H2,1-2H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 402.57 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).